(E)-(diaminomethylideneamino)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]azanium
Formula:C10H12N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]azanium |
| MolecularFormula | C10H12N5O2 |
| Smiles | NC(N)=N/[NH+]=C/C=C/c(cccc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C10H11N5O2/c11-10(12)14-13-7-3-5-8-4-1-2-6-9(8)15(16)17/h1-7H,(H4,11,12,14)/p+1 |
| InChIK | BZHCGDFNSYOMFJ-UHFFFAOYSA-O |
| TotalMolweight | 234.238 |
| Molweight | 234.238 |
| MonoisotopicMass | 234.0991 |
| CLogP | -0.263 |
| CLogS | -3.742 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 176.69 |
| Relative PSA | 0.41015 |
| PolarSurfaceArea | 124.19 |
| Druglikeness | -6.3044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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